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Title: Materials Data on Pb2Cl3O by Materials Project

Abstract

Pb2OCl3 crystallizes in the hexagonal P-6 space group. The structure is one-dimensional and consists of one Pb2OCl3 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted bent 120 degrees geometry to two equivalent O and four Cl atoms. Both Pb–O bond lengths are 2.30 Å. There are a spread of Pb–Cl bond distances ranging from 2.95–3.07 Å. In the second Pb site, Pb is bonded in a 5-coordinate geometry to one O and four Cl atoms. The Pb–O bond length is 2.39 Å. There are two shorter (2.84 Å) and two longer (2.99 Å) Pb–Cl bond lengths. O is bonded in a trigonal planar geometry to three Pb atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to three Pb atoms. In the second Cl site, Cl is bonded in a distorted L-shaped geometry to two equivalent Pb atoms. In the third Cl site, Cl is bonded in a trigonal non-coplanar geometry to three Pb atoms.

Publication Date:
Other Number(s):
mp-1188914
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pb2Cl3O; Cl-O-Pb
OSTI Identifier:
1745192
DOI:
https://doi.org/10.17188/1745192

Citation Formats

The Materials Project. Materials Data on Pb2Cl3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745192.
The Materials Project. Materials Data on Pb2Cl3O by Materials Project. United States. doi:https://doi.org/10.17188/1745192
The Materials Project. 2020. "Materials Data on Pb2Cl3O by Materials Project". United States. doi:https://doi.org/10.17188/1745192. https://www.osti.gov/servlets/purl/1745192. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1745192,
title = {Materials Data on Pb2Cl3O by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2OCl3 crystallizes in the hexagonal P-6 space group. The structure is one-dimensional and consists of one Pb2OCl3 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted bent 120 degrees geometry to two equivalent O and four Cl atoms. Both Pb–O bond lengths are 2.30 Å. There are a spread of Pb–Cl bond distances ranging from 2.95–3.07 Å. In the second Pb site, Pb is bonded in a 5-coordinate geometry to one O and four Cl atoms. The Pb–O bond length is 2.39 Å. There are two shorter (2.84 Å) and two longer (2.99 Å) Pb–Cl bond lengths. O is bonded in a trigonal planar geometry to three Pb atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to three Pb atoms. In the second Cl site, Cl is bonded in a distorted L-shaped geometry to two equivalent Pb atoms. In the third Cl site, Cl is bonded in a trigonal non-coplanar geometry to three Pb atoms.},
doi = {10.17188/1745192},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}